Re: [ccp4bb] Short peptide outliers

2017-10-02 Thread Eleanor Dodson
That is very pleasing! Ramachandran vindicated yet again.. Eleanor On 2 October 2017 at 10:31, Meytal Galilee wrote: > Dear all, > Many thanks for your responses. > Indeed the peptide was wrong handed, flipping the peptide chain fixed all > my outliers issues! > Thanks again! > Meytal > > 2017-1

Re: [ccp4bb] Short peptide outliers

2017-10-02 Thread Meytal Galilee
Dear all, Many thanks for your responses. Indeed the peptide was wrong handed, flipping the peptide chain fixed all my outliers issues! Thanks again! Meytal 2017-10-01 23:12 GMT+03:00 Eleanor Dodson : > That seems strange! You couldn't have built it in the wrong direction > could you? > > Or have

Re: [ccp4bb] Short peptide outliers

2017-10-01 Thread Eleanor Dodson
That seems strange! You couldn't have built it in the wrong direction could you? Or have bound a L-handed peptide? There are outliers which can be explained by interactions with other features but it would be very very unlikely that all the residues were outliers Eleanor On 1 October 2017 at

Re: [ccp4bb] Short peptide outliers

2017-10-01 Thread Dale Tronrud
Hi, Bond length and angle targets are defined based on the local chemistry and apply equally to small and large molecules. The Ramachandran distributions were defined via an examination of, basically, tripeptides. Your peptide model must be consistent with these prior observations to be consi

[ccp4bb] Short peptide outliers

2017-10-01 Thread Meytal Galilee
Hi All, I have solved a structure of a protein bound to a short peptide (11 residues) at 1.9A. The peptide fits the map perfectly, however, all of its residues are either Ramachandran / bond length / angle outliers. Fixing any of these issues forces the peptide to misfit the map dramatically. Is a